CID 154734788

Dtxsid101019615

Structural Information

Molecular Formula
C25H30N2O2
SMILES
CCOC(=O)CCN1C2=C(C[C@@H](CC2)N[C@@H](C)C3=CC=CC=C3)C4=CC=CC=C41
InChI
InChI=1S/C25H30N2O2/c1-3-29-25(28)15-16-27-23-12-8-7-11-21(23)22-17-20(13-14-24(22)27)26-18(2)19-9-5-4-6-10-19/h4-12,18,20,26H,3,13-17H2,1-2H3/t18-,20+/m0/s1
InChIKey
JEIWVUCNEAYJCI-AZUAARDMSA-N
Compound name
ethyl 3-[(3R)-3-[[(1S)-1-phenylethyl]amino]-1,2,3,4-tetrahydrocarbazol-9-yl]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

390.23074 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.23802 197.6
[M+Na]+ 413.21996 210.2
[M+NH4]+ 408.26456 205.6
[M+K]+ 429.19390 203.1
[M-H]- 389.22346 202.5
[M+Na-2H]- 411.20541 203.2
[M]+ 390.23019 200.7
[M]- 390.23129 200.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.